7,8-Dihydroxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
| Internal ID | 1010fba0-c2ad-44ac-9cf7-5c74594a93d7 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 7,8-dihydroxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=CC2=C(C(=C1O)O)OC=C(C2=O)C3=CC=C(C=C3)OC)C |
| SMILES (Isomeric) | CC(=CCC1=CC2=C(C(=C1O)O)OC=C(C2=O)C3=CC=C(C=C3)OC)C |
| InChI | InChI=1S/C21H20O5/c1-12(2)4-5-14-10-16-19(23)17(11-26-21(16)20(24)18(14)22)13-6-8-15(25-3)9-7-13/h4,6-11,22,24H,5H2,1-3H3 |
| InChI Key | QUMJXMLQYYGVBX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H20O5 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.53% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.13% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.08% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.80% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.11% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.99% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.55% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.37% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.07% | 91.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.00% | 92.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.66% | 91.49% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.38% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.18% | 94.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.83% | 93.31% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.06% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.48% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.66% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.60% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.03% | 95.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.44% | 97.28% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.59% | 85.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Glycyrrhiza glabra |
| PubChem | 16733845 |
| LOTUS | LTS0196949 |
| wikiData | Q105228272 |